Geometry & MOs

Info

ID:	289561
PubChem CID:	104359494
Reduced:	BrClN2H10C15 (1)
Stoich.:	ABC2D10E15 (1)
Weight, g/mol:	337.92801
ΔH_f, kcal/mol:	86.13
Dipole, Da:	4.91
IP(EA), eV:	-9.09(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-amino-3-(3-bromo-2-chlorophenyl)-2-thiophen-2-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C(/C2=C(C(=CC=C2)Br)Cl)\N)/C#N

DOS

IR

Vibrations